8-cyclopentyl-2-[(4-piperazin-1-ylphenyl)amino]pteridin-7-one

Systemtic Name: 8-cyclopentyl-2-[(4-piperazin-1-ylphenyl)amino]pteridin-7-one Openeye Name: 8-cyclopentyl-2-(4-piperazin-1-ylanilino)pteridin-7-one CAS Name: 8-cyclopentyl-2-[4-(1-piperazinyl)anilino]-7-pteridinone IUPAC Name: 8-cyclopentyl-2-(4-piperazin-1-ylanilino)pteridin-7-one Traditional Name: 8-cyclopentyl-2-(4-piperazinoanilino)pteridin-7-one Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C=NC3=CN=C(N=C32)NC4=CC=C(C=C4)N5CCNCC5

Isomeric SMILES

C1CCC(C1)N2C(=O)C=NC3=CN=C(N=C32)NC4=CC=C(C=C4)N5CCNCC5

InChI

InChI=1S/C21H25N7O/c29-19-14-23-18-13-24-21(26-20(18)28(19)17-3-1-2-4-17)25-15-5-7-16(8-6-15)27-11-9-22-10-12-27/h5-8,13-14,17,22H,1-4,9-12H2,(H,24,25,26)